(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid

C7H8N4O6 — CID 174241691

IUPAC(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid
SMILES[N-]=[N+]=N[C@]1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H8N4O6/c8-10-9-7(5(14)15)1-3(4(12)13)11(2-7)6(16)17/h3H,1-2H2,(H,12,13)(H,14,15)(H,16,17)/t3-,7+/m0/s1
InChIKeyVYZVCZVPNMXNFL-CLTAVNFZSA-N
MW244.16 g/mol
LogP-0.04
Rot. Bonds3

About (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid

(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid (PubChem CID 174241691) has the molecular formula C7H8N4O6 and a molecular weight of 244.16 g/mol. Its IUPAC name is (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid
PubChem CID174241691
Molecular FormulaC7H8N4O6
Molecular Weight244.16 g/mol
Exact Mass244.04
IUPAC Name(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid
SMILES[N-]=[N+]=N[C@]1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H8N4O6/c8-10-9-7(5(14)15)1-3(4(12)13)11(2-7)6(16)17/h3H,1-2H2,(H,12,13)(H,14,15)(H,16,17)/t3-,7+/m0/s1
InChIKeyVYZVCZVPNMXNFL-CLTAVNFZSA-N
XLogP-0.04
TPSA163.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid?
The IUPAC name of (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid (CID 174241691) is (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid.
What is the SMILES notation for (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid?
The canonical SMILES for (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid is [N-]=[N+]=N[C@]1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid?
The InChIKey is VYZVCZVPNMXNFL-CLTAVNFZSA-N. The full InChI is InChI=1S/C7H8N4O6/c8-10-9-7(5(14)15)1-3(4(12)13)11(2-7)6(16)17/h3H,1-2H2,(H,12,13)(H,14,15)(H,16,17)/t3-,7+/m0/s1.
What are the key properties of (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid?
(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid has a molecular weight of 244.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid is sourced from PubChem (CID 174241691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).